Dimethyl 2-cyano-3-(2-methoxy-2-oxoethyl)pentanedioate
Basic information
- CAS
91248-71-4- Standard SMILES
COC(=O)CC(CC(=O)OC)C(C#N)C(=O)OC- InChIKey
XUMOQNROQCXQMM-UHFFFAOYSA-N- Molecular formula
- C11H15NO6
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.0899372
Names & identifiers
- Preferred name
- Dimethyl 2-cyano-3-(2-methoxy-2-oxoethyl)pentanedioate
- IUPAC
- dimethyl 2-cyano-3-(2-methoxy-2-oxoethyl)pentanedioate
Names & synonyms
91248-71-4dimethyl 2-cyano-3-(2-methoxy-2-oxoethyl)pentanedioateNSC120547DTXSID10298097NSC-120547DS-010812Dimethyl 2-cyano-3-(methoxycarbonylmethyl)pentanedioate
Database identifiers
- CAS
91248-71-4- PubChem CID
- 274487
- DTXSID
DTXSID10298097
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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